2-(aminocarbamothioylamino)-N-propan-2-ylacetamide

C6H14N4OS — CID 43567961

IUPAC2-(aminocarbamothioylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=S)NN
InChIInChI=1S/C6H14N4OS/c1-4(2)9-5(11)3-8-6(12)10-7/h4H,3,7H2,1-2H3,(H,9,11)(H2,8,10,12)
InChIKeyWAULJWALVBAXAH-UHFFFAOYSA-N
MW190.27 g/mol
LogP-1.15
Rot. Bonds3

About 2-(aminocarbamothioylamino)-N-propan-2-ylacetamide

2-(aminocarbamothioylamino)-N-propan-2-ylacetamide (PubChem CID 43567961) has the molecular formula C6H14N4OS and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-(aminocarbamothioylamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(aminocarbamothioylamino)-N-propan-2-ylacetamide
PubChem CID43567961
Molecular FormulaC6H14N4OS
Molecular Weight190.27 g/mol
Exact Mass190.09
IUPAC Name2-(aminocarbamothioylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=S)NN
InChIInChI=1S/C6H14N4OS/c1-4(2)9-5(11)3-8-6(12)10-7/h4H,3,7H2,1-2H3,(H,9,11)(H2,8,10,12)
InChIKeyWAULJWALVBAXAH-UHFFFAOYSA-N
XLogP-1.15
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(aminocarbamothioylamino)-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminocarbamothioylamino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(aminocarbamothioylamino)-N-propan-2-ylacetamide (CID 43567961) is 2-(aminocarbamothioylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(aminocarbamothioylamino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(aminocarbamothioylamino)-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(=S)NN.
What is the InChIKey of 2-(aminocarbamothioylamino)-N-propan-2-ylacetamide?
The InChIKey is WAULJWALVBAXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4OS/c1-4(2)9-5(11)3-8-6(12)10-7/h4H,3,7H2,1-2H3,(H,9,11)(H2,8,10,12).
What are the key properties of 2-(aminocarbamothioylamino)-N-propan-2-ylacetamide?
2-(aminocarbamothioylamino)-N-propan-2-ylacetamide has a molecular weight of 190.27 g/mol, XLogP of -1.15, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminocarbamothioylamino)-N-propan-2-ylacetamide is sourced from PubChem (CID 43567961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).